- \item C$_{\text{sub}}$ drastically underestimated by EA
- \item EA predicts correct ground state:
- C$_{\text{sub}}$ \& \si{} $>$ \ci{}
- \item Identified migration path explaining
- diffusion and reorientation experiments by DFT
- \item EA fails to describe \ci{} migration:
- Wrong path \& overestimated barrier